AI for Personalized Healthcare

We are excited to share a new open source tool for exploring molecular structures through graphs. GraphMol Nexus converts chemical structures into interactive network diagrams, making it easier to see molecules as both chemical entities and data networks. You can input a SMILES string or choose from common examples like aspirin or caffeine. The app displays the molecule’s structure side-by-side with its graph representation, complete with color-coded atoms and adjustable bond widths.

For educators, this tool helps explain concepts like molecular connectivity and aromaticity. Researchers and data scientists can use it to analyze properties like molecular weight, LogP, and graph density. It’s open-source and free to use.

App link: https://graphmol-nexus.streamlit.app/